(2R)-2-bromo-1,1,1-trifluorodecane

C10H18BrF3 — CID 98120472

IUPAC(2R)-2-bromo-1,1,1-trifluorodecane
SMILESCCCCCCCC[C@@H](Br)C(F)(F)F
InChIInChI=1S/C10H18BrF3/c1-2-3-4-5-6-7-8-9(11)10(12,13)14/h9H,2-8H2,1H3/t9-/m1/s1
InChIKeyXYSXKYRVEZBHJJ-SECBINFHSA-N
MW275.15 g/mol
LogP5.06
Rot. Bonds7

About (2R)-2-bromo-1,1,1-trifluorodecane

(2R)-2-bromo-1,1,1-trifluorodecane (PubChem CID 98120472) has the molecular formula C10H18BrF3 and a molecular weight of 275.15 g/mol. Its IUPAC name is (2R)-2-bromo-1,1,1-trifluorodecane.

Molecular Properties

Compound Name(2R)-2-bromo-1,1,1-trifluorodecane
PubChem CID98120472
Molecular FormulaC10H18BrF3
Molecular Weight275.15 g/mol
Exact Mass274.05
IUPAC Name(2R)-2-bromo-1,1,1-trifluorodecane
SMILESCCCCCCCC[C@@H](Br)C(F)(F)F
InChIInChI=1S/C10H18BrF3/c1-2-3-4-5-6-7-8-9(11)10(12,13)14/h9H,2-8H2,1H3/t9-/m1/s1
InChIKeyXYSXKYRVEZBHJJ-SECBINFHSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.15
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1,1-difluoro-1-methylsulfanylundecane
CID 10903197
(2R)-1,1,1-trifluoroundecan-2-ol
CID 2779105
(2S)-1,1,1-trifluorodecan-2-ol
CID 10878470
1,1,1-trifluoro-2-(trifluoromethyl)octane
CID 87708107
1,1,1-trifluoro-2-(trifluoromethyl)undecane
CID 150236240
5,6-dibromo-5-butyltetradecane
CID 151305284
3-bromo-2-methylheptadecan-2-ol
CID 141275323
1,1,1-trifluoroundecane-2-thiol
CID 139974257
2,2,3-tribromodecan-1-ol
CID 141280818
6-bromopentadecane
CID 86639780
12-bromodotriacontane
CID 122613066
2-bromo-1-fluorododecane
CID 12938124

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-1,1,1-trifluorodecane?
The IUPAC name of (2R)-2-bromo-1,1,1-trifluorodecane (CID 98120472) is (2R)-2-bromo-1,1,1-trifluorodecane.
What is the SMILES notation for (2R)-2-bromo-1,1,1-trifluorodecane?
The canonical SMILES for (2R)-2-bromo-1,1,1-trifluorodecane is CCCCCCCC[C@@H](Br)C(F)(F)F.
What is the InChIKey of (2R)-2-bromo-1,1,1-trifluorodecane?
The InChIKey is XYSXKYRVEZBHJJ-SECBINFHSA-N. The full InChI is InChI=1S/C10H18BrF3/c1-2-3-4-5-6-7-8-9(11)10(12,13)14/h9H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-bromo-1,1,1-trifluorodecane?
(2R)-2-bromo-1,1,1-trifluorodecane has a molecular weight of 275.15 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-1,1,1-trifluorodecane is sourced from PubChem (CID 98120472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).